In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2010 | 27 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.24 | 8.51 | -61.93 | 2 | 6 | -1 | 98 | 369.441 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.24 | 6.78 | -16.1 | 3 | 6 | 0 | 95 | 370.449 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.